(5-propyl-1,3-thiazol-2-yl)methanamine

C7H12N2S — CID 4036260

IUPAC(5-propyl-1,3-thiazol-2-yl)methanamine
SMILESCCCc1cnc(CN)s1
InChIInChI=1S/C7H12N2S/c1-2-3-6-5-9-7(4-8)10-6/h5H,2-4,8H2,1H3
InChIKeyTXPGVIAADKQEIX-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.55
Rot. Bonds3

About (5-propyl-1,3-thiazol-2-yl)methanamine

(5-propyl-1,3-thiazol-2-yl)methanamine (PubChem CID 4036260) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (5-propyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-propyl-1,3-thiazol-2-yl)methanamine
PubChem CID4036260
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(5-propyl-1,3-thiazol-2-yl)methanamine
SMILESCCCc1cnc(CN)s1
InChIInChI=1S/C7H12N2S/c1-2-3-6-5-9-7(4-8)10-6/h5H,2-4,8H2,1H3
InChIKeyTXPGVIAADKQEIX-UHFFFAOYSA-N
XLogP1.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dipropyl-1,3-thiazole
CID 588151
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
2-chloro-5-propyl-1,3-thiazole
CID 56625607
5-(bromomethyl)-2-propyl-1,3-thiazole
CID 82422468
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 167734686
[5-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66820044
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628
[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62750144

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-propyl-1,3-thiazol-2-yl)methanamine (CID 4036260) is (5-propyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-propyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-propyl-1,3-thiazol-2-yl)methanamine is CCCc1cnc(CN)s1.
What is the InChIKey of (5-propyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is TXPGVIAADKQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-3-6-5-9-7(4-8)10-6/h5H,2-4,8H2,1H3.
What are the key properties of (5-propyl-1,3-thiazol-2-yl)methanamine?
(5-propyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 156.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 4036260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).